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Deutetrabenazine Impurity 24

CAT: 1299-RM-D193024-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D193024-01Size:10 mg
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CAS Number
2241866-17-9
Synonyms
4- (2-aminoethyl) -2- (methoxy-d3) phenol
Molecular Formula
C9H10D3NO2
Molecular Weight
170.23
Target Alternative Name
Deutetrabenazine

Chemical Information

4-(2-Aminoethyl)-2-(methoxy-d3)phenol
CAS Number2241866-17-9
PubChem CID119025572
IUPAC Name4-(2-aminoethyl)-2-(trideuteriomethoxy)phenol
Molecular FormulaC9H13NO2
Molecular Weight170.22
XLogP0.2
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity130
SMILES
[2H]C([2H])([2H])OC1=C(C=CC(=C1)CCN)O
InChI
InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3/i1D3
InChIKey
DIVQKHQLANKJQO-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Aminoethyl)-2-(methoxy-d3)phenol
CAS: 2241866-17-9
CID: 119025572
Formula: C9H13NO2
MW: 170.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.22
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass170.113458895
Monoisotopic Mass170.113458895
Topological Polar Surface Area55.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity130
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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